2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119562707

IUPAC2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCNC1CCN(C(=O)c2cccc(NC(=O)C3CC3C)c2)CC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-12-10-16(12)17(22)20-15-5-3-4-13(11-15)18(23)21-8-6-14(19-2)7-9-21;/h3-5,11-12,14,16,19H,6-10H2,1-2H3,(H,20,22);1H
InChIKeyDJHYHZITDUVHHR-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.53
Rot. Bonds4

About 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride

2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119562707) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119562707
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCNC1CCN(C(=O)c2cccc(NC(=O)C3CC3C)c2)CC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-12-10-16(12)17(22)20-15-5-3-4-13(11-15)18(23)21-8-6-14(19-2)7-9-21;/h3-5,11-12,14,16,19H,6-10H2,1-2H3,(H,20,22);1H
InChIKeyDJHYHZITDUVHHR-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55651270
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 120655838
cis-(1S,2R)-2-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28637437
2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 75386847
N-(2-methoxyphenyl)-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 46432087
1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55815541
trans-(1R,2R)-2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 97238780
N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55808081
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 86982588

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119562707) is 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride is CNC1CCN(C(=O)c2cccc(NC(=O)C3CC3C)c2)CC1.Cl.
What is the InChIKey of 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is DJHYHZITDUVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-12-10-16(12)17(22)20-15-5-3-4-13(11-15)18(23)21-8-6-14(19-2)7-9-21;/h3-5,11-12,14,16,19H,6-10H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride?
2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119562707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).